Sugi Predict

Sugi Predict / Compounds / SCHEMBL1120769

SCHEMBL1120769

SCHEMBL1120769

C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1ncnc2[nH]ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 1.00
▸ JAK2 O60674 13/20 1.00
▸ JAK1 P23458 10/20 1.00
▸ TYK2 P29597 5/20 1.00
▸ PKN2 Q16513 3/20 0.62
▸ AURKB Q96GD4 2/20 0.62
▸ ROCK2 O75116 2/20 0.58
▸ MARK3 P27448 2/20 0.58
▸ PRKCD Q05655 2/20 0.58
▸ STK3 Q13188 2/20 0.58
▸ ROCK1 Q13464 2/20 0.58
▸ CAMK2D Q13557 2/20 0.58
▸ LRRK2 Q5S007 2/20 0.58
▸ MARK2 Q7KZI7 2/20 0.58
▸ MAP4K3 Q8IVH8 1/20 0.58
▸ MAP4K5 Q9Y4K4 1/20 0.58
▸ DCLK1 O15075 1/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ LCK P06239 1/20 0.58
▸ FYN P06241 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28403909 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
SCHEMBL28403918 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
SCHEMBL1376867 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
SCHEMBL16809397 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
SCHEMBL28403926 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Hydrogen Sulfide SCHEMBL28763305 0.99 JAK3 (0.98) JAK3JAK2JAK1TYK2PKN2
SCHEMBL27676940 0.91 JAK3 (0.84) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4064027 0.91 JAK3 (0.83) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4072656 0.90 JAK3 (0.82) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4060476 0.90 JAK3 (0.82) JAK3JAK2JAK1TYK2PKN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 134 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12269830-B2 Process for preparation of tofacitinib and pharmaceutically acceptable salt thereof INTAS PHARMACEUTICALS LTD. (IN) 2025-04-08 — — US claimed
US-20220153743-A1 PROCESS FOR PREPARATION OF TOFACITINIB AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF INTAS PHARMACEUTICALS LTD. (IN) 2022-05-19 — — US claimed
CN-112697912-B Method for detecting tofacitinib citrate intermediate and related impurities thereof 上海博悦生物科技有限公司 2021-09-21 — — CN claimed
CN-113248509-A Preparation method of tofacitinib citrate intermediate 上海中西三维药业有限公司 2021-08-13 — — CN claimed
CN-111995627-B Tofacitinib citrate intermediate and preparation method and application thereof 山东金城昆仑药业有限公司 2021-04-27 — — CN claimed
CN-112697912-A Method for detecting tofacitinib citrate intermediate and related impurities thereof 上海博悦生物科技有限公司 2021-04-23 — — CN claimed
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 — — CN claimed
CN-112592347-A Tofacitinib intermediate related substance and application thereof 上海博悦生物科技有限公司 2021-04-02 — — CN claimed
US-10829450-B2 Process for the preparation of (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine UNICHEM LABORATORIES LIMITED (IN) 2020-11-10 — — US claimed
CN-111588724-A Use of pyrrolopyrimidine derivatives in the treatment of Janus kinase mediated diseases 黄泳华 2020-08-28 — — CN claimed
CN-111202736-A Compositions containing a mixture of pyrrolopyrimidine derivatives and uses thereof 黄泳华 2020-05-29 — — CN claimed
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 — — CN claimed
CN-109776547-A Preparation method of tofacitinib citrate 北京新领先医药科技发展有限公司 2019-05-21 — — CN claimed
US-20160122354-A1 PROCESS FOR THE PREPARATION OF (3R,4R)-4-METHYL-3-(METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL-AMINO)-ß-OXO-1-PIPERIDINEPROPANENITRILE AND ITS SALTS THIRUMALAI RAJAN SRINIVASAN (IN) 2016-05-05 — — US claimed
CN-105440039-A Synthesis method of tofacitinib citrate SHANDONG ZIBO XINCAT PHARMACEUTICAL CO LTD 2016-03-30 — — CN claimed
CN-105153166-A N- [ (3R,4R) -1-benzyl-4-methylpiperidin-3-yl ] -N-methyl-7H-pyrrolo [2,3-d ] pyrimidin-4-amine crystal HUBEI LIVSCIEN PHARM SCI & TECH CO LTD 2015-12-16 — — CN claimed
CN-121800792-A Method for synthesizing tofacitinib key intermediate 山东新时代药业有限公司 2026-04-07 — — CN disclosed
US-12269830-B2 Process for preparation of tofacitinib and pharmaceutically acceptable salt thereof INTAS PHARMACEUTICALS LTD. (IN) 2025-04-08 — — US disclosed
WO-2003048162-A1 NOVEL CRYSTALLINE COMPOUND PFIZER PRODUCTS INC. (US) 2003-06-12 — — WO disclosed
US-20030073719-A1 Chiral salt resolution PFIZER INC. 2003-04-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10829450-B2 Process for the preparation of (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine KDM4D, KDM4A, KDM4C JAK3 1107/4885JAK2 1226/4885JAK1 1103/4885
US-20220153743-A1 PROCESS FOR PREPARATION OF TOFACITINIB AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF JAK3, JAK1, JAK2 JAK3 1/4885JAK2 3/4885JAK1 2/4885
US-20030073719-A1 Chiral salt resolution REN, SRR, RER1 JAK3 4250/4885JAK2 3069/4885JAK1 3549/4885
US-20160122354-A1 PROCESS FOR THE PREPARATION OF (3R,4R)-4-METHYL-3-(METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL-AMINO)-ß-OXO-1-PIPERIDINEPROPANENITRILE AND ITS SALTS CYP4B1, CYP3A4, CYP1B1 JAK3 1333/4885JAK2 1531/4885JAK1 653/4885
US-12269830-B2 Process for preparation of tofacitinib and pharmaceutically acceptable salt thereof JAK3, JAK1, JAK2 JAK3 1/4885JAK2 3/4885JAK1 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.